SCHEMBL6239485

SCHEMBL6239485

O=C(O)Cc1ccc(OCc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.66
IDO1 P14902 2/20 0.54
S1PR1 P21453 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KDM4C Q9H3R0 1/20 0.48
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
PPARD Q03181 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1590516 0.84 RXRA (0.55) PTGDR2IDO1PPARGPPARARXRA
SCHEMBL30302148 0.84 RXRA (0.55) PTGDR2IDO1PPARGPPARARXRA
SCHEMBL6239486 0.83 PTGDR2 (0.56) PTGDR2IDO1S1PR1KDM4CPPARG
SCHEMBL5505912 0.82 IDO1 (0.60) PTGDR2IDO1S1PR1KDM4CPPARG
SCHEMBL10143217 0.80 PTGDR2 (1.00) PTGDR2
SCHEMBL15018384 0.79 MRGPRX4 (0.60) SMN1; SMN2MRGPRX4RXRARXRBRXRG
SCHEMBL1508483 0.79 FFAR1 (0.77) PPARGFFAR1
SCHEMBL10143223 0.78 PTGDR2 (1.00) PTGDR2
SCHEMBL3498978 0.77 MAOB (0.67) PTGDR2PPARGPPARAMRGPRX4FFAR1
SCHEMBL4759196 0.77 FFAR1 (0.77) PTGDR2S1PR1PPARGPPARAMRGPRX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed